기본 정보
- CAS
24468-13-1- 표준 SMILES
CCCCC(CC)COC(=O)Cl- InChIKey
RTGLJCSUKOLTEM-UHFFFAOYSA-N- 분자식
- C9H17ClO2
- 평균 분자량
- 192.68 g/mol
- 단동위원소 질량
- 192.09170746
개요
2-ethylhexyl chloroformate appears as a colorless to light yellow colored liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and/or skin absorption.
이름 및 식별자
- 우선 이름
- 2-Ethylhexyl chloroformate
- IUPAC
- 2-ethylhexyl carbonochloridate
- 현지명
- 클로로탄산 2-에틸헥실에스테르
- 영어명
- 2-Ethylhexyl chloroformate
- 분자식
- C9H17ClO2
- 분자량
- 192.68
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
24468-13-1- PubChem CID
- 62783
- DTXSID
DTXSID2027832- ChEMBL
CHEMBL1880924- UNII
- 8GNA16Q81R
- EC Number
- 246-278-9
- Nikkaji
- J56.136C
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 126
실험 및 물리화학적 성질
Physical Description
2-ethylhexyl chloroformate appears as a colorless to light yellow colored liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and/or skin absorption.
Liquid
물리화학적 성질
- 끓는 점
- 106 · 106-107 °C30 mm Hg(lit.)
- 밀도
- 0.981 g/mL · 0.981 g/mL at 25 °C(lit.)
- 증기 밀도
- 1 · >1 (vs air)
- 증기압
- 0.1 psi · 0.1 psi ( 20 °C)
- 굴절률
- 20 · n20/D 1.431(lit.)
- 인화점
- 179 °F · 179 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- soluble in Ether,Benzene,Chloroform
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- InChI
- InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
- InChIKey
- RTGLJCSUKOLTEM-UHFFFAOYSA-N
- SMILES
- C(Cl)(OCC(CC)CCCC)=O
- EPA
- 2 · Carbonochloridic acid, 2-ethylhexyl ester (24468-13-1)
안전 및 규제
GHS 분류
GHS Classification
Danger
H290 (37.5%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P271, P272, P280, P284, P302+P352, P304+P340, P316, P320, P321, P332+P317, P333+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 184 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Carbonochloridic acid, 2-ethylhexyl ester
Carbonochloridic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonochloridic acid, 2-ethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14153
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Reactivity Profile
2-ETHYLHEXYL CHLOROFORMATE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
2-Ethylhexyl chloroformate
UN2748
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
안전 및 보호
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Protective Action Criteria (PAC)
0.088 [ppm]
0.97 [ppm]
2.9 [ppm]
AEGLs Table
AEGL 1: Notable discomfort, irritation, or certain asymptomatic non-sensory effects. However, the effects are not disabling and are transient and reversible upon cessation of exposure (Unit: ppm)
NR
NR
NR
NR
NR
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- FG3660000
- ridadr
- UN 2748
- HS 번호
- 29159000
- risk_code
- 23/24/25-34-43-38-26
- hazard_code
- T,T+
- safety_code
- 26-27-36/37/39-45-36/37-28
- 포장분류
- II
- 위험 등급
- 6.1
- 기존화학 물질
- KE-13785
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Carbonochloridic acid, 2-ethylhexyl ester: ACTIVE
응용 분야
일반 설명A colorless to light yellow colored liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and/or skin absorption.
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
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